4-[[1,3-dimethyl-2,6,8-tris(oxidanylidene)-9H-purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,3-dimethyl-2,6,8-tris(oxidanylidene)-9H-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(1,3-dimethyl-2,6,8-trioxo-9H-purin-7-yl)methyl]benzonitrile CAS Name: 4-[(1,3-dimethyl-2,6,8-trioxo-9H-purin-7-yl)methyl]benzonitrile IUPAC Name: 4-[(1,3-dimethyl-2,6,8-trioxo-9H-purin-7-yl)methyl]benzonitrile Traditional Name: 4-[(2,6,8-triketo-1,3-dimethyl-9H-purin-7-yl)methyl]benzonitrile Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H13N5O3/c1-18-12-11(13(21)19(2)15(18)23)20(14(22)17-12)8-10-5-3-9(7-16)4-6-10/h3-6H,8H2,1-2H3,(H,17,22)